2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium

C15H14N5O3Y- — CID 88570004

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cc[c-]cc2)n(C)c1=O.[Y]
InChIInChI=1S/C15H14N5O3.Y/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10;/h4-7,9H,8H2,1-2H3,(H,17,21);/q-1;
InChIKeyLPNPJVJOWBAZIE-UHFFFAOYSA-N
MW401.22 g/mol
LogP-0.13
Rot. Bonds3

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium (PubChem CID 88570004) has the molecular formula C15H14N5O3Y- and a molecular weight of 401.22 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
PubChem CID88570004
Molecular FormulaC15H14N5O3Y-
Molecular Weight401.22 g/mol
Exact Mass401.02
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2cc[c-]cc2)n(C)c1=O.[Y]
InChIInChI=1S/C15H14N5O3.Y/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10;/h4-7,9H,8H2,1-2H3,(H,17,21);/q-1;
InChIKeyLPNPJVJOWBAZIE-UHFFFAOYSA-N
XLogP-0.13
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 1150897
N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 743810
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 4678780
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-ethynylphenyl)acetamide
CID 164524269
methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 1116268
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,4-dimethylphenyl)acetamide
CID 775363
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049
4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 7856329
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(Z)-1-sulfanylprop-1-enyl]phenyl]acetamide
CID 146549650
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pyridin-3-ylphenyl)acetamide
CID 86764603
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide;4-propan-2-ylaniline
CID 161447543
[3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]phenyl]-methyl-oxoazanium
CID 58312063

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium (CID 88570004) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium is Cn1c(=O)c2c(ncn2CC(=O)Nc2cc[c-]cc2)n(C)c1=O.[Y].
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium?
The InChIKey is LPNPJVJOWBAZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N5O3.Y/c1-18-13-12(14(22)19(2)15(18)23)20(9-16-13)8-11(21)17-10-6-4-3-5-7-10;/h4-7,9H,8H2,1-2H3,(H,17,21);/q-1;.
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium has a molecular weight of 401.22 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide;yttrium is sourced from PubChem (CID 88570004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).